@datagrok-libraries/bio 5.51.0 → 5.51.2

package/CHANGELOG.md

@@ -1,5 +1,9 @@
 # bio changelog
 
+## 5.51.1 (2025-04-22)
+
+Update weblogo defaults 
+
 ## 5.51.0 (2025-04-08)
 
 To Atomic level fixes for terminal monomers with 1 R group, wrongly configured r-groups and incorrect notations

package/package.json

@@ -8,13 +8,13 @@
     "access": "public"
   },
   "friendlyName": "Datagrok bio library",
-  "version": "5.51.0",
+  "version": "5.51.2",
   "description": "Bio utilities, types supporting Macromolecule, Molecule3D data",
   "dependencies": {
     "@datagrok-libraries/chem-meta": "^1.2.7",
     "@datagrok-libraries/gridext": "^1.4.0",
     "@datagrok-libraries/ml": "^6.7.6",
-    "@datagrok-libraries/utils": "^4.3.7",
+    "@datagrok-libraries/utils": "^4.5.7",
     "@deck.gl/core": "8.8.12",
     "cash-dom": "^8.1.5",
     "datagrok-api": "^1.21.1",

package/src/utils/macromolecule/monomers.d.ts.map

@@ -1 +1 @@
-{"version":3,"file":"monomers.d.ts","sourceRoot":"","sources":["monomers.ts"],"names":[],"mappings":"AAEA,OAAO,QAAQ,MAAM,yCAAyC,CAAC;AA0Q/D,eAAO,MAAM,eAAe;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;CAG3B,CAAC;AAEF,eAAO,MAAM,iBAAiB;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;CAG7B,CAAC;AAEF,wBAAsB,oBAAoB,CAAC,SAAS,EAAE,MAAM,wCAc3D;AAED,wBAAsB,wBAAwB,CAAC,SAAS,EAAE,MAAM,EAAE,WAAW,EAAE,MAAM,EAAE,SAAS,SAAI,0BAgBnG"}
+{"version":3,"file":"monomers.d.ts","sourceRoot":"","sources":["monomers.ts"],"names":[],"mappings":"AAEA,OAAO,QAAQ,MAAM,yCAAyC,CAAC;AA0Q/D,eAAO,MAAM,eAAe;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;CAG3B,CAAC;AAEF,eAAO,MAAM,iBAAiB;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;CAG7B,CAAC;AAEF,wBAAsB,oBAAoB,CAAC,SAAS,EAAE,MAAM,wCAc3D;AAED,wBAAsB,wBAAwB,CAAC,SAAS,EAAE,MAAM,EAAE,WAAW,EAAE,MAAM,EAAE,SAAS,SAAI,0BAkBnG"}

package/src/utils/macromolecule/monomers.js

@@ -215,6 +215,8 @@ export async function mostSimilarNaturalAnalog(molString, monomerType, threshold
     const morganFp = await getMorganFingerprint(molString);
     if (!morganFp)
         return null;
+    if (!naturalMonomerFps[monomerType])
+        return null;
     const naturalFps = naturalMonomerFps[monomerType];
     let maxSim = 0;
     let mostSimilar = null;

package/src/utils/macromolecule/monomers.js.map

@@ -1 +1 @@
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package/src/utils/monomer-ui.d.ts

@@ -22,7 +22,7 @@ export interface IMonomerGallery {
 export interface IMonomerManager {
     /** Creates new monomer library in correct folder and adds given monomers */
     createNewMonomerLib(libName: string, monomers: Monomer[]): Promise<void>;
-    cloneMonomer(dfRow: DG.Row): Monomer;
+    editMonomer(dfRow: DG.Row): Promise<Monomer>;
     getNewMonomerForm(): INewMonomerForm;
 }
 export declare const MonomerInputProperties: {

package/src/utils/monomer-ui.d.ts.map

@@ -1 +1 @@
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package/src/viewers/web-logo.d.ts

@@ -54,7 +54,8 @@ export declare const WebLogoPropsDefault: {
     fixWidth: boolean;
     fitArea: boolean;
     minHeight: number;
-    maxHeight: number;
+    maxHeight: number | null;
+    maxMonomerLetters: number;
     showPositionLabels: boolean;
     positionMarginState: PositionMarginStates;
     positionMargin: number;

package/src/viewers/web-logo.d.ts.map

@@ -1 +1 @@
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package/src/viewers/web-logo.js

@@ -55,14 +55,15 @@ export const WebLogoPropsDefault = new class {
         // -- Style --
         this.backgroundColor = 0xFFFFFFFF;
         this.positionHeight = PositionHeight.Entropy; // that is the way in the bioinformatics domain
-        this.positionWidth = 16;
+        this.positionWidth = 20;
         // -- Layout --
         this.verticalAlignment = VerticalAlignments.MIDDLE;
         this.horizontalAlignment = HorizontalAlignments.CENTER;
         this.fixWidth = false;
         this.fitArea = true;
-        this.minHeight = 50;
-        this.maxHeight = 100;
+        this.minHeight = 25;
+        this.maxHeight = 300;
+        this.maxMonomerLetters = 5;
         this.showPositionLabels = true;
         this.positionMarginState = PositionMarginStates.AUTO;
         this.positionMargin = 0;

package/src/viewers/web-logo.js.map

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